2-[4-(2-aminopropyl)-2-bromo-6-ethoxyphenoxy]-N,N-dimethylacetamide

C15H23BrN2O3 — CID 60906449

IUPAC2-[4-(2-aminopropyl)-2-bromo-6-ethoxyphenoxy]-N,N-dimethylacetamide
SMILESCCOc1cc(CC(C)N)cc(Br)c1OCC(=O)N(C)C
InChIInChI=1S/C15H23BrN2O3/c1-5-20-13-8-11(6-10(2)17)7-12(16)15(13)21-9-14(19)18(3)4/h7-8,10H,5-6,9,17H2,1-4H3
InChIKeyQDKODSHGLKBRCZ-UHFFFAOYSA-N
MW359.26 g/mol
LogP2.20
Rot. Bonds7

About 2-[4-(2-aminopropyl)-2-bromo-6-ethoxyphenoxy]-N,N-dimethylacetamide

2-[4-(2-aminopropyl)-2-bromo-6-ethoxyphenoxy]-N,N-dimethylacetamide (PubChem CID 60906449) has the molecular formula C15H23BrN2O3 and a molecular weight of 359.26 g/mol. Its IUPAC name is 2-[4-(2-aminopropyl)-2-bromo-6-ethoxyphenoxy]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[4-(2-aminopropyl)-2-bromo-6-ethoxyphenoxy]-N,N-dimethylacetamide
PubChem CID60906449
Molecular FormulaC15H23BrN2O3
Molecular Weight359.26 g/mol
Exact Mass358.09
IUPAC Name2-[4-(2-aminopropyl)-2-bromo-6-ethoxyphenoxy]-N,N-dimethylacetamide
SMILESCCOc1cc(CC(C)N)cc(Br)c1OCC(=O)N(C)C
InChIInChI=1S/C15H23BrN2O3/c1-5-20-13-8-11(6-10(2)17)7-12(16)15(13)21-9-14(19)18(3)4/h7-8,10H,5-6,9,17H2,1-4H3
InChIKeyQDKODSHGLKBRCZ-UHFFFAOYSA-N
XLogP2.20
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.26
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[4-(2-aminopropyl)-2-bromo-6-ethoxyphenoxy]acetate
CID 60906356
2-[4-(2-aminopropyl)-2,6-dibromophenoxy]-N-ethyl-N-methylacetamide
CID 107739825
2-[4-(2-aminopropyl)-2-bromophenoxy]-N,N-dimethylacetamide
CID 55148691
2-[4-(2-aminopropyl)-2-bromo-6-ethoxyphenoxy]butanamide
CID 62899307
1-(3-bromo-5-ethoxy-4-pentoxyphenyl)propan-2-amine
CID 60906355
1-[3-bromo-5-ethoxy-4-(2-methylpentoxy)phenyl]propan-2-amine
CID 63421470
4-(2-aminopropyl)-2-bromo-6-ethoxyphenol
CID 79020961
2-[4-(2-aminopropyl)-2-methoxyphenoxy]-N,N-dimethylacetamide
CID 54929408
2-[2-(2-aminopropyl)-6-bromophenoxy]-N,N-dimethylacetamide
CID 61392479
2-[2-bromo-6-ethoxy-4-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]phenoxy]-N,N-dimethylacetamide
CID 75402075
1-[3-bromo-5-methoxy-4-(2-methylidenebutoxy)phenyl]propan-2-amine
CID 66038772
2-[4-(aminomethyl)-2-bromo-6-ethoxyphenoxy]-N-cyclopropyl-N-methylacetamide
CID 61488931

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-aminopropyl)-2-bromo-6-ethoxyphenoxy]-N,N-dimethylacetamide?
The IUPAC name of 2-[4-(2-aminopropyl)-2-bromo-6-ethoxyphenoxy]-N,N-dimethylacetamide (CID 60906449) is 2-[4-(2-aminopropyl)-2-bromo-6-ethoxyphenoxy]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[4-(2-aminopropyl)-2-bromo-6-ethoxyphenoxy]-N,N-dimethylacetamide?
The canonical SMILES for 2-[4-(2-aminopropyl)-2-bromo-6-ethoxyphenoxy]-N,N-dimethylacetamide is CCOc1cc(CC(C)N)cc(Br)c1OCC(=O)N(C)C.
What is the InChIKey of 2-[4-(2-aminopropyl)-2-bromo-6-ethoxyphenoxy]-N,N-dimethylacetamide?
The InChIKey is QDKODSHGLKBRCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2O3/c1-5-20-13-8-11(6-10(2)17)7-12(16)15(13)21-9-14(19)18(3)4/h7-8,10H,5-6,9,17H2,1-4H3.
What are the key properties of 2-[4-(2-aminopropyl)-2-bromo-6-ethoxyphenoxy]-N,N-dimethylacetamide?
2-[4-(2-aminopropyl)-2-bromo-6-ethoxyphenoxy]-N,N-dimethylacetamide has a molecular weight of 359.26 g/mol, XLogP of 2.20, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-aminopropyl)-2-bromo-6-ethoxyphenoxy]-N,N-dimethylacetamide is sourced from PubChem (CID 60906449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).